Geometry & MOs

Info

ID:

425071

PubChem CID:

135125036

Reduced:

SF3N4O5C29H29 (1)

Stoich.:

AB3C4D5E29F29 (1)

Weight, g/mol:

514.226786

ΔHf, kcal/mol:

-278.33

Dipole, Da:

2.24

IP(EA), eV:

 -8.49(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-[[(1R)-7-fluoro-4-[6-(oxolan-3-yloxy)pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]phenyl]hex-4-ynoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations